Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | Methyl (2S)-6,7-dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0~1,18~.0~2,15~.0~5,14~.0~6,11~]docosa-11,16-dien-19-yl]-6-methyl-4-oxoheptan oate | C39H52O7

Methyl (2S)-6,7-dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]-6-methyl-4-oxoheptan oate

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID8898036

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-6,7-Dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-hydroxy-2,6,14-triméthyl-9-phényl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dién-19-yl]-6-méthyl-4-oxoheptanoate de ; méthyle [French] [ACD/IUPAC Name]
1H,9H-8a,11a-Methanocyclopenta[7,8]phenanthro[1,2-c]pyran-9-acetic acid, α-(4,5-dihydroxy-4-methyl-2-oxopentyl)-3,4,6,6a,6b,10,11,11b,12,13,13a,13b-dodecahydro-12-hydroxy-6a,11b,13b-trimethyl-3-ph enyl-, methyl ester, (αS,3S,6aS,6bR,8aS,9S,11aS,11bR,12R,13aR,13bR)- [ACD/Index Name]
Methyl (2S)-6,7-dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]-6-methyl-4-oxoheptan oate [ACD/IUPAC Name]
Methyl-(2S)-6,7-dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]-6-methyl-4-oxoheptan oat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 765.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 233.4±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5062.66
ACD/KOC (pH 5.5): 15602.25
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5062.66
ACD/KOC (pH 7.4): 15602.23
Polar Surface Area: 113 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 502.8±5.0 cm3

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